5-amino-3-[(Z)-2-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile

Formula:C26H16N5OBrCl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 5-amino-3-[(Z)-2-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile is not a drug-like molecule.

MolName	5-amino-3-[(Z)-2-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
MolecularFormula	C26H16N5OBrCl2
Smiles	Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c(cc(cc2)Br)c2OCc(ccc(Cl)c2)c2Cl)c1C#N
InChI	InChI=1S/C26H16BrCl2N5O/c27-19-7-9-24(35-15-16-6-8-20(28)12-23(16)29)17(11-19)10-18(13-30)25-22(14-31)26(32)34(33-25)21-4-2-1-3-5-21/h1-12H,15,32H2
InChIK	BETBGUXZXUXUBU-UHFFFAOYSA-N
TotalMolweight	565.257
Molweight	565.257
MonoisotopicMass	562.991525
CLogP	5.3504
CLogS	-8.409
H Acceptors	6
H Donors	1
TotalSurfaceArea	390.38
Relative PSA	0.1799
PolarSurfaceArea	100.65
Druglikeness	-3.3843
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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